| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
TSHR (thyrotropin receptor). NCGC00379308 is a positive allosteric modulator of TSHR that initiates translocation of β-Arr 1 with an EC50 of 11.6 μM. It potentiates TSH-mediated preosteoblast differentiation in vitro. The compound binds and activates TSHR without affecting Gs-mediated signaling pathways such as cAMP production.
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| ln Vitro |
NCGC00379308 stimulates β-Arr 1 translocation with a 5.1-fold greater efficacy than TSH in DiscoverX1 cells. It potentiates the effect of TSH in stimulating β-Arr 1 translocation. The compound potentiates TSH-induced upregulation of ALPL and OPN mRNA levels and increases TSH-induced secretion of OPN protein. It increases TSH-induced differentiation of human preosteoblasts in an in vitro model. It does not activate β-Arr 1 translocation to the GLP1 receptor.
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| ln Vivo |
NCGC00379308 potentiates TSH-mediated preosteoblast differentiation in vitro. It has been shown to increase TSH-induced differentiation of human preosteoblasts. The compound does not activate Gs-mediated signaling pathways, i.e., cAMP production. It binds and activates the TSHR and has no agonistic effect on cAMP production nor inhibit TSH-induced cAMP production in DiscoverX1 cells and primary cultures of human thyrocytes.
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| Enzyme Assay |
NCGC00379308 is evaluated in cell-free receptor binding assays using membrane preparations expressing TSHR. Radioligand binding displacement assays are performed to determine the affinity of the compound for TSHR. Competition binding experiments are conducted with increasing concentrations of NCGC00379308 and a fixed concentration of a labeled reference ligand. The compound's ability to modulate TSH-induced β-Arr 1 translocation is assessed using cell-free systems.
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| Cell Assay |
NCGC00379308 is assessed in cell-based assays using DiscoverX1 cells and primary cultures of human thyrocytes. Cells are treated with NCGC00379308, and β-Arr 1 translocation is measured. The compound stimulates β-Arr 1 translocation with an EC50 of 11.6 μM. It does not activate β-Arr 1 translocation to the GLP1 receptor. The compound has no agonistic effect on cAMP production nor does it inhibit TSH-induced cAMP production.
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| Animal Protocol |
NCGC00379308 is administered in animal models to evaluate its effects on TSHR modulation. While specific animal study protocols are not extensively documented, the compound is used as a research tool to study TSHR signaling. It potentiates the effect of TSH in stimulating β-Arr 1 translocation. The compound is soluble in DMSO and can be formulated for in vivo administration.
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| ADME/Pharmacokinetics |
NCGC00379308 is soluble in DMSO at ≥125 mg/mL (374.89 mM). It is soluble in ethanol at 33 mg/mL but insoluble in water. The compound should be stored as a powder at -20°C for up to 3 years. Stock solutions should be stored at -80°C for up to 6 months. In vivo, it can be formulated as a homogeneous suspension in CMC-Na at ≥5 mg/mL.
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| Toxicity/Toxicokinetics |
No detailed toxicity data is available for NCGC00379308. The compound is for research use only and is not intended for human therapeutic use. It is a potent, functionally selective TSHR positive allosteric modulator. The compound does not activate β-Arr 1 translocation to the GLP1 receptor and has no agonistic effect on cAMP production.
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| References | |
| Additional Infomation |
NCGC00379308 (D3-βArr) is a positive allosteric modulator of the thyrotropin receptor (TSHR) that modulates TSH-induced β-Arr 1 translocation. It has a purity of 99.96% and a CAS number of 662164-09-2. The compound is also known as D3-βArr, D3βArr, and NCGC-00379308. It is a small molecule with a molecular weight of 333.43 and a molecular formula of C20H23N5. The compound is used for research purposes only and has not been approved for clinical use.
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| Molecular Formula |
C20H23N5
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| Molecular Weight |
333.43012
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| Exact Mass |
333.195
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| CAS # |
662164-09-2
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| Related CAS # |
662164-09-2;
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| PubChem CID |
2950121
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| Appearance |
White to off-white solid powder
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| LogP |
3.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
405
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C(NC2C3C(=CC=CC=3)N=C(N3CCNCC3)N=2)C)C=CC=CC=1
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| InChi Key |
LOGWGZNWEWFTJV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H23N5/c1-15(16-7-3-2-4-8-16)22-19-17-9-5-6-10-18(17)23-20(24-19)25-13-11-21-12-14-25/h2-10,15,21H,11-14H2,1H3,(H,22,23,24)
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| Chemical Name |
N-(1-Phenylethyl)-2-(1-piperazinyl)-4-quinazolinamine
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| Synonyms |
D3-ßArr D3ßArr D3 ßArr NCGC00379308 NCGC-00379308 NCGC 00379308
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ≥ 125 mg/mL (~374.89 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.24 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.24 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.24 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9991 mL | 14.9957 mL | 29.9913 mL | |
| 5 mM | 0.5998 mL | 2.9991 mL | 5.9983 mL | |
| 10 mM | 0.2999 mL | 1.4996 mL | 2.9991 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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